中国医学前沿杂志（电子版）2025，Vol.17Issue(4)：104-111,8.DOI:10.12037/YXQY.2025.04-16
基于网络药理学方法和分子对接技术的柴胡抗焦虑机制探讨
Exploration of the anti-anxiety mechanism of Bupleurum chinensis based on network pharmacology methods and molecular docking technology
摘要
Abstract
Objective To explore the potential pharmacological mechanisms of bupleurum chinensis in the treatment of anxiety disorders at the molecular level using network pharmacology.Methods The chemical constituents of Bupleurum chinensis were firstly screened for anxiety-related targets,the targets of the screened chemical constituents were compared with those of the disease-related targets.Cytoscape v3.9.1 software was used to construct a drug-component-target network and a protein interconnection network.And gene ontology(GO),Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed.Key compounds were selected from the"drug-component-target"network,core targets were selected from the protein interaction network,and molecular docking of key compounds and core targets was performed using AutoDockTools 1.5.7 software.Results A total of 16 potential active components of bupleurum chinensis and 173 corresponding targets were screened,with 1571 targets related to anxiety disorders,and 76 as intersection targets.The key compounds were identified as stigmasterol,kaempferol,isorhamnetin,and quercetin,while the core targets were AKT1,IL-6,TNF,CASP3,and TP53.The network docking results indicated a strong binding affinity between stigmasterol and the core targets.Conclusions Multiple active components in Bupleurum chinensis exert anti-anxiety effects by regulating stress and inflammation signals,supporting Bupleurum chinensis as a complementary therapy for anxiety alongside conventional medications.关键词
网络药理学/柴胡/焦虑症/分子对接Key words
Network pharmacology/Bupleurum chinensis/Anxiety disorder/Molecular docking引用本文复制引用
杨咸之,龙子弋,魏明清,倪敬年,时晶,田金洲..基于网络药理学方法和分子对接技术的柴胡抗焦虑机制探讨[J].中国医学前沿杂志（电子版）,2025,17(4):104-111,8.基金项目
National Natural Science Foundation of China(82074362) （82074362）
Strategic Research and Consulting Project of Chinese Academy of Engineering(2023-XZ-43) 国家自然科学基金项目(82074362) （2023-XZ-43）
中国工程院战略研究与咨询项目(2023-XZ-43) （2023-XZ-43）
